- InChI
- InChI=1S/C14H29N2OP/c1-6-9-11-15-13(4)14(5)16(12-10-7-2)18(15,17)8-3/h6-12H2,1-5H3
- InChI Key
- XFRDMMKKZHCHBF-UHFFFAOYSA-N
- Formula
- C14H29N2OP
- SMILES
- CCCCN1C(C)=C(C)N(CCCC)P1(=O)CC
- Molecular Weight1
- 272.37
- CAS
- 104728-29-2
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6261 | Relay (... Calculated Property | |
| ΔfG° | 115.73 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -311.15 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 78.15 | kJ/mol | Relay (... Calculated Property |
| IE | 6.86 | eV | NIST |
| log10WS | -2.91 | Relay (... Calculated Property | |
| logPoct/wat | 4.669 | Crippen Calculated Property | |
| McVol | 239.250 | ml/mol | McGowan Calculated Property |
| Pc | 1598.16 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 593.70 | K | Relay (... Calculated Property |
| Tc | 781.62 | K | Relay (... Calculated Property |
| Tfus | 351.51 | K | Relay (... Calculated Property |
| Vc | 0.874 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,2-Diazaphosphol-4-ene, 2-ethyl-2-oxo-1,3-dibutyl-4,5-dimethyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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